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ALA4476817 Name:
N-[3-(piperidin-4-yl)-5-(trifluoromethyl)phenyl]gu
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Mol. Formula:
C13H17F3N4
M.W.:
286.30
Type:
Unknown
AlogP:
2.48
Polar Surface Area:
73.93
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4474974 Name:
(2Z,4Z,6Z)-3-((E)-3-(2,4-dichlorophenyl)acryloyl)-
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Mol. Formula:
C16H10Cl2O3
M.W.:
321.16
Type:
Unknown
AlogP:
3.96
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4521019 Name:
(E)-3-((2-chloro-6-methoxy-4-((3-oxobenzo[d]thiazo
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Mol. Formula:
C25H17ClN2O5S
M.W.:
492.94
Type:
Unknown
AlogP:
4.40
Polar Surface Area:
90.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4553432 Name:
2-(1-(4-chlorophenyl)-2-methyl-1H-indol-5-yloxy)ac
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Mol. Formula:
C17H14ClNO3
M.W.:
315.76
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
51.46
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4576930 Name:
4-(2-(5-chlorobenzo[d]oxazol-2-ylthio)acetamido)be
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Mol. Formula:
C16H11ClN2O4S
M.W.:
362.79
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
92.43
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4779840 Name:
1-chloro-4-isopropyl-2-(2-nitrophenylthio)-2,3,3a,
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Mol. Formula:
C22H23ClN2O4S
M.W.:
446.96
Type:
Unknown
AlogP:
5.61
Polar Surface Area:
92.47
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4778575 Name:
N-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)-2-(4,7
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Mol. Formula:
C22H20N4O3
M.W.:
388.43
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
90.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4777785 Name:
2-((5-(4-chloro-3-methylphenyl)furan-2-yl)methylen
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Mol. Formula:
C20H13ClO2S
M.W.:
352.84
Type:
Unknown
AlogP:
6.24
Polar Surface Area:
30.21
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4583798 Name:
(Z)-2-((5-(4-(1H-tetrazol-1-yl)phenyl)furan-2-yl)m
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Mol. Formula:
C21H12N6O2S
M.W.:
412.43
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
91.11
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4784600 Name:
methyl 3-(5-((3-oxobenzo[b]thiophen-2(3H)-ylidene)
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Mol. Formula:
C21H14O4S
M.W.:
362.41
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
56.51
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4783271 Name:
1-chloro-4-(2,4-dichlorophenyl)-2-(2-nitrophenylth
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Mol. Formula:
C25H19Cl3N2O4S
M.W.:
549.86
Type:
Unknown
AlogP:
7.64
Polar Surface Area:
92.47
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4796282 Name:
2-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene
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Mol. Formula:
C20H13NO4S
M.W.:
363.39
Type:
Unknown
AlogP:
5.49
Polar Surface Area:
73.35
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4795619 Name:
4-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiop
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Mol. Formula:
C15H16N2O3S
M.W.:
304.37
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
90.19
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4794142 Name:
1-chloro-9-nitro-2-(2-nitrophenylthio)-4-propyl-2,
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Mol. Formula:
C22H22ClN3O6S
M.W.:
491.95
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
135.61
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4790102 Name:
2-chloro-5-(5-((3-oxobenzo[b]thiophen-2(3H)-yliden
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Mol. Formula:
C20H11ClO4S
M.W.:
382.82
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
67.51
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4789081 Name:
2-(4-hydroxy-2-oxo-1,6-diphenyl-1,2-dihydropyridin
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Mol. Formula:
C24H17NO4S
M.W.:
415.47
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
79.53
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4787643 Name:
5-(2,4-dimethylphenylsulfonamido)-2-methylbenzofur
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Mol. Formula:
C18H17NO5S
M.W.:
359.40
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
96.61
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4786630 Name:
4-(4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-5-me
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Mol. Formula:
C19H19NO5S
M.W.:
373.43
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
92.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4798963 Name:
2-(1,2,3,4-thiatriazol-5-ylthio)-N-(5-chloropyridi
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Mol. Formula:
C8H6ClN5OS2
M.W.:
287.76
Type:
Unknown
AlogP:
1.71
Polar Surface Area:
80.66
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4461414 Name:
(Z)-2-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methy
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Mol. Formula:
C21H13N3O4S
M.W.:
403.42
Type:
Unknown
AlogP:
3.93
Polar Surface Area:
90.65
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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